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Volumn 110, Issue 39, 2006, Pages 19685-19695

Understanding the enzymatic activity of 4-oxalocrotonate tautomerase and its mutant analogues: A computational study

Author keywords

[No Author keywords available]

Indexed keywords

MOLECULAR DYNAMICS; MUTAGENESIS; QUANTUM THEORY; SUBSTRATES;

EID: 33750371435     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0634858     Document Type: Article
Times cited : (9)

References (59)
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    • (2004) CHARMM, Version C31b1
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    • note
    • The vdW parameters in CHARMM are quite robust. Thus, these parameters were taken from similar atoms existing in the standard force field.
  • 38
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    • note
    • Overlapping is defined by the distance between the TIP3P oxygen atom and any non-TIP3P heavy atom: R(O-X). If R(O-X) < 2.8 Å, then the TIP3P water is deleted.
  • 44
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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.